Description

5-Bromo-3-Chloro-2-Iodobenzotrifluoride is a high-value, multi-halogenated benzotrifluoride derivative serving as a critical building block in advanced organic synthesis. This compound matters for its unique molecular architecture, which provides multiple orthogonal reactive sites for selective functionalization, enabling the construction of complex chemical scaffolds. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for creating novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the trifluoromethyl group for enhanced bioactivity and metabolic stability.
• Liquid Crystal & OLED Materials: Serves as a fluorinated aromatic core for constructing advanced electronic materials used in displays and lighting.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed reactions (e.g., Suzuki, Sonogashira, Stille) due to the presence of bromo and iodo substituents with different reactivities.
• Ligand & Catalyst Development: Utilized to create novel, sterically hindered phosphine or N-heterocyclic carbene (NHC) ligands for catalysis.
• Chemical Biology Probes: Acts as a versatile handle for synthesizing fluorinated probes and tags for imaging and diagnostic applications.

Basic Information

Product Name	5-Bromo-3-Chloro-2-Iodobenzotrifluoride
CAS No.	1027512-67-9
Molecular Formula	C7H2BrClF3I
Molecular Weight	399.35 g/mol
Synonyms	2-Iodo-5-bromo-3-chlorobenzotrifluoride; 1-Bromo-3-chloro-4-iodo-5-(trifluoromethyl)benzene; 5-Bromo-3-chloro-2-iodo-α,α,α-trifluorotoluene; Benzene, 1-bromo-3-chloro-4-iodo-5-(trifluoromethyl)-; 2-Iodo-5-bromo-3-chloro-α,α,α-trifluorotoluene
EINECS	Contact for details

Quality Control

Our 5-Bromo-3-Chloro-2-Iodobenzotrifluoride is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with all shipments, detailing batch-specific results. Our quality commitment aligns with cGMP principles for advanced pharmaceutical intermediates, ensuring reliable supply and traceability for critical R&D and scale-up projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 10 ppm
Residual Solvents (GC)	Complies with ICH Q3C

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.